CID 23423067

2-isopropyl-4,5-dimethylphenol

Structural Information

Molecular Formula
C11H16O
SMILES
CC1=CC(=C(C=C1C)O)C(C)C
InChI
InChI=1S/C11H16O/c1-7(2)10-5-8(3)9(4)6-11(10)12/h5-7,12H,1-4H3
InChIKey
RFRYAUSWHSKOIY-UHFFFAOYSA-N
Compound name
4,5-dimethyl-2-propan-2-ylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

20
References

934
Patents

164.12012 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.127396 134.7
[M+Na]+ 187.109338 143.5
[M-H]- 163.112844 137.9
[M+NH4]+ 182.153943 155.7
[M+K]+ 203.083278 141.4
[M+H-H2O]+ 147.117380 130.0
[M+HCOO]- 209.118321 156.4
[M+CH3COO]- 223.133971 181.1
[M+Na-2H]- 185.094786 138.2
[M]+ 164.11957142 135.5
[M]- 164.12066858 135.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe